N-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide

C20H24N2O3S — CID 17143039

IUPACN-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
SMILESCCCCNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C20H24N2O3S/c1-2-3-12-21-20(26)22-19(23)16-8-7-11-18(15-16)25-14-13-24-17-9-5-4-6-10-17/h4-11,15H,2-3,12-14H2,1H3,(H2,21,22,23,26)
InChIKeyMBWZIXOOHFCAAI-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.55
Rot. Bonds9

About N-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide

N-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide (PubChem CID 17143039) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
PubChem CID17143039
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
SMILESCCCCNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C20H24N2O3S/c1-2-3-12-21-20(26)22-19(23)16-8-7-11-18(15-16)25-14-13-24-17-9-5-4-6-10-17/h4-11,15H,2-3,12-14H2,1H3,(H2,21,22,23,26)
InChIKeyMBWZIXOOHFCAAI-UHFFFAOYSA-N
XLogP3.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(methylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955357
N-[(4-heptoxyphenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955369
3-methoxy-N-(pentylcarbamothioyl)benzamide
CID 18822983
3-butoxy-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17340591
N-butyl-3-[[3-(2-ethoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17197307
N-[(4-benzamidophenyl)carbamothioyl]-3-butoxybenzamide
CID 17235751
N-(benzamidocarbamothioyl)-3-propoxybenzamide
CID 4960455
N-(2-methoxyethyl)-3-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17219311
N-(diethylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955234
3-butoxy-N-[[(2,2-diphenylacetyl)amino]carbamothioyl]benzamide
CID 4957276
N-[[(3-methylbenzoyl)amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955383
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide (CID 17143039) is N-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide is CCCCNC(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of N-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide?
The InChIKey is MBWZIXOOHFCAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-3-12-21-20(26)22-19(23)16-8-7-11-18(15-16)25-14-13-24-17-9-5-4-6-10-17/h4-11,15H,2-3,12-14H2,1H3,(H2,21,22,23,26).
What are the key properties of N-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide?
N-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 17143039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).